LaNd6Y2Th
Alexandria ALEXAlex-ID: agm004977643 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
NdY2 La3Nd5 LaTh4 Nd
2022-08-05 21:25:20.427436
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004977643).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004977643
data_agm004977643
_cell_length_a 9.48827
_cell_length_b 9.00707
_cell_length_c 9.00707
_cell_angle_alpha 114.36677
_cell_angle_beta 92.24147
_cell_angle_gamma 92.24147
_cell_volume 699.36204
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.25000 0.95641 0.04359 1.00000
La2 La 0.75000 0.04359 0.95641 1.00000
Nd1 Nd 0.06423 0.10944 0.76377 1.00000
Nd2 Nd 0.43577 0.23623 0.89056 1.00000
Nd3 Nd 0.93577 0.89056 0.23623 1.00000
Nd4 Nd 0.56423 0.76377 0.10944 1.00000
Nd5 Nd 0.31286 0.00133 0.44328 1.00000
Nd6 Nd 0.18714 0.55672 0.99867 1.00000
Nd7 Nd 0.68714 0.99867 0.55672 1.00000
Nd8 Nd 0.81286 0.44328 0.00133 1.00000
Nd9 Nd 0.11051 0.70517 0.47252 1.00000
Nd10 Nd 0.38949 0.52748 0.29483 1.00000
Nd11 Nd 0.88949 0.29483 0.52748 1.00000
Nd12 Nd 0.61051 0.47252 0.70517 1.00000
Y1 Y 0.44079 0.79737 0.70020 1.00000
Y2 Y 0.05921 0.29980 0.20263 1.00000
Y3 Y 0.55921 0.20263 0.29980 1.00000
Y4 Y 0.94079 0.70020 0.79737 1.00000
Th1 Th 0.25000 0.41123 0.58877 1.00000
Th2 Th 0.75000 0.58877 0.41123 1.00000
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